Tetraethyl pentane-1,3,3,5-tetracarboxylate
TL;DR: Tetraethyl pentane-1,3,3,5-tetracarboxylate (CAS 6957-81-9) is a chemical compound with molecular formula C17H28O8 and molecular weight 360.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetraethyl pentane-1,3,3,5-tetracarboxylate
Also Known As: tetraethyl pentane-1,3,3,5-tetracarboxylate, Tetraethyl 1,3,3,5-pentanetetracarboxylate, Tetraethyl 1,3,3,5-pentanetetracarboxylate #, 1,3,3,5-Tetraethyl 1,3,3,5-pentanetetracarboxylate, 1,3,3,5-Pentanetetracarboxylic acid, tetraethyl ester
| Molecular Formula | C17H28O8 |
|---|---|
| Molecular Weight | 360.18 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 360.1784 |
| Heavy Atoms | 25 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 6957-81-9 |
|---|---|
| SMILES | CCOC(=O)CCC(CCC(=O)OCC)(C(=O)OCC)C(=O)OCC |
| InChIKey | QOYOXWTVAJBIDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetraethyl pentane-1,3,3,5-tetracarboxylate (CAS 6957-81-9), with molecular formula C17H28O8 and molecular weight 360.18 g/mol. IUPAC: tetraethyl pentane-1,3,3,5-tetracarboxylate.
Chemical Property Profile of Tetraethyl pentane-1,3,3,5-tetracarboxylate
Property Insights of Tetraethyl pentane-1,3,3,5-tetracarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraethyl pentane-1,3,3,5-tetracarboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraethyl pentane-1,3,3,5-tetracarboxylate. Following Lipinski's Rule of Five, Tetraethyl pentane-1,3,3,5-tetracarboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetraethyl pentane-1,3,3,5-tetracarboxylate?
The CAS number of Tetraethyl pentane-1,3,3,5-tetracarboxylate is 6957-81-9.
What is the molecular formula of Tetraethyl pentane-1,3,3,5-tetracarboxylate?
The molecular formula of Tetraethyl pentane-1,3,3,5-tetracarboxylate is C17H28O8.
What is the molecular weight of Tetraethyl pentane-1,3,3,5-tetracarboxylate?
The molecular weight of Tetraethyl pentane-1,3,3,5-tetracarboxylate is 360.18 g/mol.
Where can I buy Tetraethyl pentane-1,3,3,5-tetracarboxylate?
You can request a quote for Tetraethyl pentane-1,3,3,5-tetracarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraethyl pentane-1,3,3,5-tetracarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tetraethyl pentane-1,3,3,5-tetracarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.